N-[2-(propylamino)phenyl]hydroxylamine

C9H14N2O — CID 175227965

IUPACN-[2-(propylamino)phenyl]hydroxylamine
SMILESCCCNc1ccccc1NO
InChIInChI=1S/C9H14N2O/c1-2-7-10-8-5-3-4-6-9(8)11-12/h3-6,10-12H,2,7H2,1H3
InChIKeyWZFMHJGYYLIVJH-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.31
Rot. Bonds4

About N-[2-(propylamino)phenyl]hydroxylamine

N-[2-(propylamino)phenyl]hydroxylamine (PubChem CID 175227965) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[2-(propylamino)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(propylamino)phenyl]hydroxylamine
PubChem CID175227965
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[2-(propylamino)phenyl]hydroxylamine
SMILESCCCNc1ccccc1NO
InChIInChI=1S/C9H14N2O/c1-2-7-10-8-5-3-4-6-9(8)11-12/h3-6,10-12H,2,7H2,1H3
InChIKeyWZFMHJGYYLIVJH-UHFFFAOYSA-N
XLogP2.31
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(propylamino)phenyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
2-tert-butyl-N-propylaniline
CID 39238556
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
2-[2-(propylamino)phenyl]acetamide
CID 43738591
2-methyl-3-oxo-3-[2-(propylamino)anilino]propanoic acid
CID 122065819
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
ethyl 2-(propylamino)benzoate
CID 15662762
N-propylaniline
CID 12153
2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide
CID 102562893
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
2-(hexadecylamino)phenol
CID 154256819
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615

Frequently Asked Questions

What is the IUPAC name of N-[2-(propylamino)phenyl]hydroxylamine?
The IUPAC name of N-[2-(propylamino)phenyl]hydroxylamine (CID 175227965) is N-[2-(propylamino)phenyl]hydroxylamine.
What is the SMILES notation for N-[2-(propylamino)phenyl]hydroxylamine?
The canonical SMILES for N-[2-(propylamino)phenyl]hydroxylamine is CCCNc1ccccc1NO.
What is the InChIKey of N-[2-(propylamino)phenyl]hydroxylamine?
The InChIKey is WZFMHJGYYLIVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-7-10-8-5-3-4-6-9(8)11-12/h3-6,10-12H,2,7H2,1H3.
What are the key properties of N-[2-(propylamino)phenyl]hydroxylamine?
N-[2-(propylamino)phenyl]hydroxylamine has a molecular weight of 166.22 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propylamino)phenyl]hydroxylamine is sourced from PubChem (CID 175227965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).